>compound beta-Alanine_beta-Alanine
#instrument UPLC Q-Tof Premier, Waters
>formula C3H7NO2
#smiles NCCC(O)=O
#RECORD LC-ESI-QTOF_train_data/PR100216.txt
>charge 1
>ionization [M+H]+
>parentmass 90.05548

>collision 5-60
90.0555 14.5
99.5073 2.091
111.0144 1.383

